diff --git a/src/mol-model/structure/model/types.ts b/src/mol-model/structure/model/types.ts index 127ecbec5623c9b38d108d09a6b21d47ef3e821e..841c79a2506d98663b2b96613a3875fde3895d69 100644 --- a/src/mol-model/structure/model/types.ts +++ b/src/mol-model/structure/model/types.ts @@ -79,28 +79,28 @@ export enum ComponentType { /** Chemical component type names for protein */ export const ProteinComponentTypeNames = [ - 'D-peptide linking', 'L-peptide linking', 'D-peptide NH3 amino terminus', - 'L-peptide NH3 amino terminus', 'D-peptide COOH carboxy terminus', - 'L-peptide COOH carboxy terminus', 'peptide linking', 'peptide-like', - 'L-gamma-peptide, C-delta linking', 'D-gamma-peptide, C-delta linking', - 'L-beta-peptide, C-gamma linking', 'D-beta-peptide, C-gamma linking', + 'D-PEPTIDE LINKING', 'L-PEPTIDE LINKING', 'D-PEPTIDE NH3 AMINO TERMINUS', + 'L-PEPTIDE NH3 AMINO TERMINUS', 'D-PEPTIDE COOH CARBOXY TERMINUS', + 'L-PEPTIDE COOH CARBOXY TERMINUS', 'PEPTIDE LINKING', 'PEPTIDE-LIKE', + 'L-GAMMA-PEPTIDE, C-DELTA LINKING', 'D-GAMMA-PEPTIDE, C-DELTA LINKING', + 'L-BETA-PEPTIDE, C-GAMMA LINKING', 'D-BETA-PEPTIDE, C-GAMMA LINKING', ] /** Chemical component type names for DNA */ export const DNAComponentTypeNames = [ - 'DNA linking', 'L-DNA linking', 'DNA OH 5 prime terminus', 'DNA OH 3 prime terminus', + 'DNA LINKING', 'L-DNA LINKING', 'DNA OH 5 PRIME TERMINUS', 'DNA OH 3 PRIME TERMINUS', ] /** Chemical component type names for RNA */ export const RNAComponentTypeNames = [ - 'RNA linking', 'L-RNA linking', 'RNA OH 5 prime terminus', 'RNA OH 3 prime terminus', + 'RNA LINKING', 'L-RNA LINKING', 'RNA OH 5 PRIME TERMINUS', 'RNA OH 3 PRIME TERMINUS', ] /** Chemical component type names for saccharide */ export const SaccharideComponentTypeNames = [ - 'D-saccharide 1,4 and 1,4 linking', 'L-saccharide 1,4 and 1,4 linking', - 'D-saccharide 1,4 and 1,6 linking', 'L-saccharide 1,4 and 1,6 linking', 'L-saccharide', - 'D-saccharide', 'saccharide', + 'D-SACCHARIDE 1,4 AND 1,4 LINKING', 'L-SACCHARIDE 1,4 AND 1,4 LINKING', + 'D-SACCHARIDE 1,4 AND 1,6 LINKING', 'L-SACCHARIDE 1,4 AND 1,6 LINKING', 'L-SACCHARIDE', + 'D-SACCHARIDE', 'SACCHARIDE', ] /** Common names for water molecules */ @@ -110,6 +110,8 @@ export const WaterNames = [ /** get the molecule type from component type and id */ export function getMoleculeType(compType: string, compId: string) { + compType = compType.toUpperCase() + compId = compId.toUpperCase() if (ProteinComponentTypeNames.includes(compType)) { return MoleculeType.protein } else if (RNAComponentTypeNames.includes(compType)) { @@ -127,6 +129,10 @@ export function getMoleculeType(compType: string, compId: string) { } } +export function isPolymer(moleculeType: MoleculeType) { + return moleculeType === MoleculeType.protein || moleculeType === MoleculeType.DNA || moleculeType === MoleculeType.RNA +} + /** * all chemical components with the word "ion" in their name, Sep 2016 *